1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazin-4-ium Openeye Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazin-4-ium CAS Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-[2-(4-methyl-2-nitrophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-[2-(4-methyl-2-nitro-phenoxy)ethyl]piperazin-4-ium Formula: C13H20N3O3+ MolecularWeight: 266.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O3/c1-11-2-3-13(12(10-11)16(17)18)19-9-8-15-6-4-14-5-7-15/h2-3,10,14H,4-9H2,1H3/p+1